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65709-33-3 molecular structure
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2-(4-fluorophenyl)piperazine

ChemBase ID: 66283
Molecular Formular: C10H13FN2
Molecular Mass: 180.2220232
Monoisotopic Mass: 180.10627665
SMILES and InChIs

SMILES:
N1C(CNCC1)c1ccc(cc1)F
Canonical SMILES:
Fc1ccc(cc1)C1NCCNC1
InChI:
InChI=1S/C10H13FN2/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2
InChIKey:
NZAKSEMIIIZYEM-UHFFFAOYSA-N

Cite this record

CBID:66283 http://www.chembase.cn/molecule-66283.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-fluorophenyl)piperazine
IUPAC Traditional name
2-(4-fluorophenyl)piperazine
Synonyms
2-(4-Fluorophenyl)piperazine
CAS Number
65709-33-3
MDL Number
MFCD05864674
PubChem SID
162032022
PubChem CID
4617623

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.882199  LogD (pH = 7.4) -0.3758278 
Log P 1.1981353  Molar Refractivity 49.948 cm3
Polarizability 19.66226 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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